ethane;1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine

C12H24F3NO — CID 144673940

IUPACethane;1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine
SMILESCC.CC(C)CN1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO.C2H6/c1-8(2)7-14-5-3-9(4-6-14)15-10(11,12)13;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyXYDPTWZYXOMEKJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.67
Rot. Bonds3

About ethane;1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine

ethane;1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine (PubChem CID 144673940) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is ethane;1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine.

Molecular Properties

Compound Nameethane;1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine
PubChem CID144673940
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Nameethane;1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine
SMILESCC.CC(C)CN1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO.C2H6/c1-8(2)7-14-5-3-9(4-6-14)15-10(11,12)13;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyXYDPTWZYXOMEKJ-UHFFFAOYSA-N
XLogP3.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-(2,2,2-trifluoroethoxy)piperidine
CID 18722957
1-Methyl-4-(3,3,3-trifluoropropoxy)piperidine
CID 18722960
1-Methyl-4-(4,4,4-trifluorobutoxy)piperidine
CID 18722979
1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine
CID 18731746
4,4-Difluoro-1-(3-methoxypropyl)piperidine
CID 21035025
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-(3-methoxypropyl)piperidine
CID 57272360
1-(3-Fluoropropyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 58364950
1-(2,2-Difluoroethyl)-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 58365115
1-Methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
CID 58450218
3-Fluoro-1-methyl-4-propan-2-yloxypiperidine
CID 59176306
1-[2-(1,1,1-Trifluoro-3-methylbutan-2-yl)oxyethyl]piperidine
CID 59203952
3-Fluoro-4-methoxy-1-methylpiperidine
CID 66664488

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine?
The IUPAC name of ethane;1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine (CID 144673940) is ethane;1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine.
What is the SMILES notation for ethane;1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine?
The canonical SMILES for ethane;1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine is CC.CC(C)CN1CCC(OC(F)(F)F)CC1.
What is the InChIKey of ethane;1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine?
The InChIKey is XYDPTWZYXOMEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO.C2H6/c1-8(2)7-14-5-3-9(4-6-14)15-10(11,12)13;1-2/h8-9H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine?
ethane;1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine has a molecular weight of 255.32 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methylpropyl)-4-(trifluoromethoxy)piperidine is sourced from PubChem (CID 144673940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).